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canSAR564864
FEATURES
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NAMES
    SMILES
    C[C@@H](C[C@H]1CO[C@H](/C=C/C=C/c2ccc(C(F)(F)F)cc2)OC1)[C@](O)(Cn1cncn1)c1ccc(F)cc1F.O=C(O)C(=O)O
    InChI
    InChI=1S/C28H28F5N3O3.C2H2O4/c1-19(27(37,16-36-18-34-17-35-36)24-11-10-23(29)13-25(24)30)12-21-14-38-26(39-15-21)5-3-2-4-20-6-8-22(9-7-20)28(31,32)33;3-1(4)2(5)6/h2-11,13,17-19,21,26,37H,12,14-16H2,1H3;(H,3,4)(H,5,6)/b4-2+,5-3+;/t19-,21-,26-,27+;/m0./s1
    MOLECULAR FORMULA
    C30H30F5N3O7
    CROSS REFERENCES
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    canSAR564864

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 639.20
    AlogP 4.90
    HBond donors 3
    HBond acceptors 10
    Atoms 75
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR564864.